Geometry & MOs

Info

ID:	88179
PubChem CID:	49902192
Reduced:	BrNSO3H20C25 (1)
Stoich.:	ABCD3E20F25 (1)
Weight, g/mol:	495.05038
ΔH_f, kcal/mol:	-37.35
Dipole, Da:	5.22
IP(EA), eV:	-9.15(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-bromophenyl)methyl]-5-[(2-butoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)COC2=CC=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Br

DOS

IR

Vibrations